N-{[6-Methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine

Basic Information

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CAS Number

82964-04-3

Molecular Formula

C16H14F3NO3S

Molecular Weight

357.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

164-165°

Boiling Point

498.1°C at 760 mmHg

SMILES

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CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)OC

InChI

InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)

InChIKey

LUBHDINQXIHVLS-UHFFFAOYSA-N

LogP

3.5591000000000017

Topological Polar Surface Area

49.77000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

486

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

N-[[6-Methoxy-5-(trifluoromethyl)-1-naphthalenyl]thioxomethyl]-N-methylglycine
2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid
J-522752
Q7814620
AKOS005146007
AY-27,773
Alredase (TN)
SCHEMBL49326
VS-0127
Lorestat
AY 27773
N-(6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonothioyl)-N-methylglycine
N-((6-methoxy-5-(trifluoromethyl)-1-naphthalenyl)thioxomethyl)-N-methylglycine
N-(6-Methoxythio-5-(trifluoromethyl)-1-naphthoyl)sarcosine
2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid
Alredase
D02323
Glycine, N-[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]thioxomethyl]-N-methyl-
82964-04-3
TOL
N-{[6-methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine
BCPP000039
Tolrestatin
Tolrestat (USAN/INN)
N-[[5-(Trifluoromethyl)-6-methoxy-1-naphthalenyl]thioxomethyl]-N-methylglycine
[([6-Methoxy-5-(trifluoromethyl)-1-naphthyl]carbothioyl)(methyl)amino]acetic acid #
TOLRESTAT [USAN]
0T93LG5NMK
TOLRESTAT
DTXSID80904890
2-(6-Methoxy-N-methyl-5-(trifluoromethyl)naphthalene-1-carbothioamido)acetic acid

MDL Number

MFCD00864170

FAQ

What are the physical and chemical properties of N-{[6-Methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine (CAS: 82964-04-3)?

N-{[6-Methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine (CAS: 82964-04-3) is a crystalline solid with a high molecular weight. It has a low solubility in water but is more soluble in organic solvents. The compound is highly reactive, particularly towards nucleophiles and electrophiles, making it suitable for various chemical transformations. It is stable under normal conditions but should be stored in a dry place to avoid hydrolysis.

How is N-{[6-Methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine (CAS: 82964-04-3) typically synthesized?

N-{[6-Methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine (CAS: 82964-04-3) is typically synthesized through a multi-step process involving the formation of a naphthylthio carbamate intermediate, followed by the coupling of the naphthylthio carbamate with N-methylglycine. The reaction is catalyzed by a suitable base and proceeds with good yield and selectivity.

What industries use N-{[6-Methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine (CAS: 82964-04-3)?

N-{[6-Methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine (CAS: 82964-04-3) is primarily used in the pharmaceutical industry for the synthesis of antiviral and anticancer drugs. It is also applicable in the polymer industry for the development of functional polymers and in the sensor industry for the preparation of chemical sensors. Additionally, it has potential applications in the semiconductor industry for the synthesis of organic semiconductors.

What precautions should be taken when handling N-{[6-Methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine (CAS: 82964-04-3)?

When handling N-{[6-Methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine (CAS: 82964-04-3), it is essential to wear appropriate personal protective equipment, including gloves, goggles, and a lab coat. Work should be done in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up carefully using appropriate materials, and the compound should be stored in a dry, cool place to prevent hydrolysis. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.